HRID90727

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1031

1-Propanol

C3H8O

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID2773216

2-Aminophenylboronic acid

C6H8BNO2

HCID58500133

未命名化合物

PRODUCTS

生成物

HCID58500141

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c2eebfae8914561907a3ed1a4a3798c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:36][c:37]1[c:38]([C:50]#[N:51])[n:39][c:40]([CH2:46][CH2:47][CH2:48][CH3:49])[n:41]1[CH2:42][CH:43]([CH3:44])[CH3:45].[CH2:61]([OH:62])[CH2:63][CH3:64].[NH2:26][c:27]1[c:28]([B:33]([OH:34])[OH:35])[cH:29][cH:30][cH:31][cH:32]1.[Na+:20].[Na+:21].[O-:22][C:23](=[O:24])[O-:25].[O-:53][C:54]([CH3:55])=[O:56].[O-:57][C:58]([CH3:59])=[O:60].[OH2:65].[Pd+2:52].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[NH2:26][c:27]1[c:28](-[c:37]2[c:38]([C:50]#[N:51])[n:39][c:40]([CH2:46][CH2:47][CH2:48][CH3:49])[n:41]2[CH2:42][CH:43]([CH3:44])[CH3:45])[cH:29][cH:30][cH:31][cH:32]1